In this study, we investigated PFAS (per- and polyfluoroalkyl substances) binding potencies to nuclear hormone receptors (NHRs): peroxisome proliferator-activated receptors (PPARs) \u03b1, \u03b2, and \u03b3 and thyroid hormone receptors (TRs) \u03b1 and \u03b2. We have simulated the docking scores of 43 perfluoroalkyl compounds and based on these data developed QSAR (Quantitative Structure-Activity Relationship) models for predicting the binding probability to five receptors. In the next step, we implemented the developed QSAR models for the screening approach of a large group of compounds (4464) from the NORMAN Database. The in silico analyses indicated that the probability of PFAS binding to the receptors depends on the chain length, the number of fluorine atoms, and the number of branches in the molecule. According to the findings, the considered PFAS group bind to the PPAR\u03b1, \u03b2, and \u03b3 only with low or moderate probability, while in the case of TR \u03b1 and \u03b2 it is similar except that those chemicals with longer chains show a moderately high probability of binding.
", "keywords": ["0301 basic medicine", "Fluorocarbons", "0303 health sciences", "Receptors", " Thyroid Hormone", "binding probability", "peroxisome proliferator-activated receptor", "QSAR", "PFAS", "H2020", "thyroid receptor", "Organic chemistry", "Quantitative Structure-Activity Relationship", "molecular docking", "virtual screening", "PROMISCES", "MLR", "Article", "03 medical and health sciences", "perfluoroalkyl compounds", "QD241-441", "in silico", "Peroxisome Proliferators", "perfluoroalkyl compounds; PFAS; peroxisome proliferator-activated receptor; thyroid receptor; QSAR; MLR; in silico; binding probability; molecular docking; virtual screening"]}, "links": [{"href": "http://www.mdpi.com/1420-3049/28/2/479/pdf"}, {"href": "https://www.mdpi.com/1420-3049/28/2/479/pdf"}, {"href": "https://doi.org/10.2139/ssrn.4173912"}, {"rel": "related", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items/SSRN%20Electronic%20Journal", "name": "related record", "description": "related record", "type": "application/json"}, {"rel": "self", "type": "application/geo+json", "title": "10.2139/ssrn.4173912", "name": "item", "description": "10.2139/ssrn.4173912", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items/10.2139/ssrn.4173912"}, {"rel": "collection", "type": "application/json", "title": "Collection", "name": "collection", "description": "Collection", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main"}], "time": {"date": "2022-01-01T00:00:00Z"}}, {"id": "11343/246714", "type": "Feature", "geometry": null, "properties": {"updated": "2026-09-21T16:22:16Z", "type": "Journal Article", "created": "2019-01-14", "title": "Exclusive dependence of IL-10R\u03b1 signalling on intestinal microbiota homeostasis and control of whipworm infection", "description": "The whipworm Trichuris trichiura is a soil-transmitted helminth that dwells in the epithelium of the caecum and proximal colon of their hosts causing the human disease, trichuriasis. Trichuriasis is characterized by colitis attributed to the inflammatory response elicited by the parasite while tunnelling through intestinal epithelial cells (IECs). The IL-10 family of receptors, comprising combinations of subunits IL-10R\u03b1, IL-10R\u03b2, IL-22R\u03b1 and IL-28R\u03b1, modulates intestinal inflammatory responses. Here we carefully dissected the role of these subunits in the resistance of mice to infection with T. muris, a mouse model of the human whipworm T. trichiura. Our findings demonstrate that whilst IL-22R\u03b1 and IL-28R\u03b1 are dispensable in the host response to whipworms, IL-10 signalling through IL-10R\u03b1 and IL-10R\u03b2 is essential to control caecal pathology, worm expulsion and survival during T. muris infections. We show that deficiency of IL-10, IL-10R\u03b1 and IL-10R\u03b2 results in dysbiosis of the caecal microbiota characterised by expanded populations of opportunistic bacteria of the families Enterococcaceae and Enterobacteriaceae. Moreover, breakdown of the epithelial barrier after whipworm infection in IL-10, IL-10R\u03b1 and IL-10R\u03b2-deficient mice, allows the translocation of these opportunistic pathogens or their excretory products to the liver causing organ failure and lethal disease. Importantly, bone marrow chimera experiments indicate that signalling through IL-10R\u03b1 and IL-10R\u03b2 in haematopoietic cells, but not IECs, is crucial to control worm expulsion and immunopathology. These findings are supported by worm expulsion upon infection of conditional mutant mice for the IL-10R\u03b1 on IECs. Our findings emphasize the pivotal and complex role of systemic IL-10R\u03b1 signalling on immune cells in promoting microbiota homeostasis and maintaining the intestinal epithelial barrier, thus preventing immunopathology during whipworm infections.", "keywords": ["0301 basic medicine", "Lydia Becker Institute", "QH301-705.5", "610", "Interleukin-22", "Mice", "03 medical and health sciences", "Animals", "Homeostasis", "Receptors", " Interleukin-10", "Trichuriasis", "Biology (General)", "Interleukins", "RC581-607", "Gastrointestinal Microbiome", "Interleukin-10", "3. Good health", "Intestines", "Mice", " Inbred C57BL", "Disease Models", " Animal", "Trichuris", "Cytokines", "Immunologic diseases. Allergy", "ResearchInstitutes_Networks_Beacons/lydia_becker_institute_of_immunology_and_inflammation; name=Lydia Becker Institute", "Research Article", "Signal Transduction"]}, "links": [{"href": "https://doi.org/11343/246714"}, {"rel": "related", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items/PLOS%20Pathogens", "name": "related record", "description": "related record", "type": "application/json"}, {"rel": "self", "type": "application/geo+json", "title": "11343/246714", "name": "item", "description": "11343/246714", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items/11343/246714"}, {"rel": "collection", "type": "application/json", "title": "Collection", "name": "collection", "description": "Collection", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main"}], "time": {"date": "2019-01-14T00:00:00Z"}}, {"id": "2862207", "type": "Feature", "geometry": null, "properties": {"updated": "2026-09-21T16:22:55Z", "type": "Journal Article", "created": "2006-10-04", "title": "Sodium Chloride-induced Partial Inhibition In Vivo Of Alpha2-Adrenoceptor Agonist Function", "description": "Recent research has demonstrated that sodium diminishes the affinity of alpha 2-adrenoceptors for agonists in vitro. Clonidine, a highly specific agonist for alpha 2-receptors, has a transient hypertensive effect when administered parenterally. We studied in conscious anephric Wistar rats the effect of equimolar saline or mannitol solutions on the hypertensive response to clonidine administered subcutaneously in doses of 10, 100 and 1000 micrograms/kg body weight. Prior saline infusion reduced the hypertensive response to the two higher doses of clonidine by 65 and 70%, and displaced the slope of the dose-response curve downwards, but mannitol had no such effect. Pre-treatment with the alpha 2-antagonist yohimbine abolished the differences in clonidine-induced pressor response between saline-treated, mannitol-treated and control rats. On the contrary, after pre-treatment with the alpha 1-antagonist prazosin, the pressor action of clonidine was significantly reduced in the saline-infused rats compared to the other two groups. Thus the saline-induced blunting of the pressor response elicited by clonidine could be negated by prior alpha 2- but not alpha 1-blockade, indicating that sodium interfered with the stimulation of post-synaptic vascular alpha 2-adrenoceptors. These findings indicate that loading with sodium chloride attenuates the alpha 2-adrenoceptor function in vivo. Based on this, we suggest that the mechanism by which sodium excess causes a rise in blood pressure involves modification of the alpha 2-adrenoceptors.", "keywords": ["Male", "Yohimbine", "Blood Pressure", "Rats", " Inbred Strains", "Prazosin", "Receptors", " Adrenergic", " alpha", "Sodium Chloride", "Nephrectomy", "Clonidine", "Rats", "03 medical and health sciences", "0302 clinical medicine", "Animals", "Mannitol", "Adrenergic alpha-Agonists"]}, "links": [{"href": "https://doi.org/2862207"}, {"rel": "related", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items/Journal%20of%20Hypertension", "name": "related record", "description": "related record", "type": "application/json"}, {"rel": "self", "type": "application/geo+json", "title": "2862207", "name": "item", "description": "2862207", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items/2862207"}, {"rel": "collection", "type": "application/json", "title": "Collection", "name": "collection", "description": "Collection", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main"}], "time": {"date": "1985-06-01T00:00:00Z"}}, {"id": "38049516", "type": "Feature", "geometry": null, "properties": {"updated": "2026-09-21T16:23:23Z", "type": "Journal Article", "created": "2023-12-04", "title": "Subtilase-mediated biogenesis of the expanded family of SERINE RICH ENDOGENOUS PEPTIDES", "description": "Plant signalling peptides are typically released from larger precursors by proteolytic cleavage to regulate plant growth, development and stress responses. Recent studies reported the characterization of a divergent family of Brassicaceae-specific peptides, SERINE RICH ENDOGENOUS PEPTIDES (SCOOPs), and their perception by the leucine-rich repeat receptor kinase MALE DISCOVERER 1-INTERACTING RECEPTOR-LIKE KINASE 2 (MIK2). Here, we reveal that the SCOOP family is highly expanded, containing at least 50 members in the Columbia-0 reference Arabidopsis thaliana genome. Notably, perception of these peptides is strictly MIK2-dependent. How bioactive SCOOP peptides are produced, and to what extent their perception is responsible for the multiple physiological roles associated with MIK2 are currently unclear. Using N-terminomics, we validate the N-terminal cleavage site of representative PROSCOOPs. The cleavage sites are determined by conserved motifs upstream of the minimal SCOOP bioactive epitope. We identified subtilases necessary and sufficient to process PROSCOOP peptides at conserved cleavage motifs. Mutation of these subtilases, or their recognition motifs, suppressed PROSCOOP cleavage and associated overexpression phenotypes. Furthermore, we show that higher-order mutants of these subtilases show phenotypes reminiscent of mik2 null mutant plants, consistent with impaired PROSCOOP biogenesis, and demonstrating biological relevance of SCOOP perception by MIK2. Together, this work provides insights into the molecular mechanisms underlying the functions of the recently identified SCOOP peptides and their receptor MIK2.", "keywords": ["570", "Arabidopsis Proteins", "[SDV]Life Sciences [q-bio]", "Arabidopsis", "Receptors", " Cell Surface", "580 Plants (Botany)", "[SDV] Life Sciences [q-bio]", "10126 Department of Plant and Microbial Biology", "1110 Plant Science", "Taverne", "Brassicaceae", "Serine", "Life Science", "10211 Zurich-Basel Plant Science Center", "Peptides", "Protein Kinases"]}, "links": [{"href": "https://www.nature.com/articles/s41477-023-01583-x.pdf"}, {"href": "https://hal.science/hal-04394015/file/NaturePlants_subtilase_scoop_2023_revised.pdf"}, {"href": "https://doi.org/38049516"}, {"rel": "related", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items/Nature%20Plants", "name": "related record", "description": "related record", "type": "application/json"}, {"rel": "self", "type": "application/geo+json", "title": "38049516", "name": "item", "description": "38049516", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items/38049516"}, {"rel": "collection", "type": "application/json", "title": "Collection", "name": "collection", "description": "Collection", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main"}], "time": {"date": "2023-12-04T00:00:00Z"}}, {"id": "39694292", "type": "Feature", "geometry": null, "properties": {"updated": "2026-09-21T16:23:25Z", "type": "Journal Article", "created": "2024-12-20", "title": "PFAS (per- and polyfluorinated alkyl substances) as EDCs (endocrine-disrupting chemicals) - Identification of compounds with high potential to bind to selected terpenoids NHRs (nuclear hormone receptors)", "description": "The file contains a publication entitled \u2018PFAS (per- and polyfluorinated alkyl substances) as EDCs (endocrine-disrupting chemicals) - Identification of compounds with high potential to bind to selected terpenoids NHRs (nuclear hormone receptors)\u2019 by Natalia Bulawska, Anita Sosnowska, Dominika Kowalska, Maciej St\u0119pnik, Tomasz Puzyn with Supplementary Materials.", "keywords": ["Molecular Docking Simulation", "Fluorocarbons", "Hydrocarbons", " Fluorinated", "Quantitative Structure-Activity Relationship", "Receptors", " Cytoplasmic and Nuclear", "Humans", "Endocrine Disruptors"]}, "links": [{"href": "https://doi.org/39694292"}, {"rel": "related", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items/Chemosphere", "name": "related record", "description": "related record", "type": "application/json"}, {"rel": "self", "type": "application/geo+json", "title": "39694292", "name": "item", "description": "39694292", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items/39694292"}, {"rel": "collection", "type": "application/json", "title": "Collection", "name": "collection", "description": "Collection", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main"}], "time": {"date": "2025-02-01T00:00:00Z"}}, {"id": "PMC9866891", "type": "Feature", "geometry": null, "properties": {"updated": "2026-09-21T16:24:45Z", "type": "Journal Article", "created": "2022-07-28", "title": "How the Structure of Per- and Polyfluoroalkyl Substances (Pfas) Influences Their Binding Potency to the Peroxisome Proliferator-Activated and Thyroid Hormone Receptors \u2013 an in Silico Screening Study", "description": "In this study, we investigated PFAS (per- and polyfluoroalkyl substances) binding potencies to nuclear hormone receptors (NHRs): peroxisome proliferator-activated receptors (PPARs) \u03b1, \u03b2, and \u03b3 and thyroid hormone receptors (TRs) \u03b1 and \u03b2. We have simulated the docking scores of 43 perfluoroalkyl compounds and based on these data developed QSAR (Quantitative Structure-Activity Relationship) models for predicting the binding probability to five receptors. In the next step, we implemented the developed QSAR models for the screening approach of a large group of compounds (4464) from the NORMAN Database. The in silico analyses indicated that the probability of PFAS binding to the receptors depends on the chain length, the number of fluorine atoms, and the number of branches in the molecule. According to the findings, the considered PFAS group bind to the PPAR\u03b1, \u03b2, and \u03b3 only with low or moderate probability, while in the case of TR \u03b1 and \u03b2 it is similar except that those chemicals with longer chains show a moderately high probability of binding.
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